SCHEMBL2023862

SCHEMBL2023862

COc1ccccc1Nc1nccn2c(N(C(=O)O)C(C)C)nnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ZAP70 P43403 4/20 0.41
▸ KARS1 Q15046 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ YES1 P07947 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2021387 0.89 SHMT2 (0.42) KDM4EMAPTZAP70KARS1MEN1
SCHEMBL2022707 0.89 PIK3C2B (0.47) KDM4EMAPTZAP70KARS1L3MBTL1
SCHEMBL2023644 0.88 MAPT (0.43) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL2019656 0.88 SRC (0.39) ZAP70KARS1GFER
SCHEMBL2024324 0.88 KMT2A (0.41) MAPTNPSR1MEN1KMT2AMAPK1
SCHEMBL2025887 0.87 TTK (0.41) KDM4EMAPTNPSR1ZAP70KARS1
SCHEMBL2018894 0.86 BRD4 (0.36) KDM4EMAPTZAP70KARS1L3MBTL1
SCHEMBL2023645 0.85 ZAP70 (0.47) KDM4EMAPTNPSR1ZAP70KARS1
SCHEMBL2018866 0.85 SMN1; SMN2 (0.42) KDM4EMAPTZAP70KARS1ALDH1A1
SCHEMBL2025118 0.84 RAB9A (0.46) MAPTNPSR1ZAP70KARS1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO KDM4E 3014/4885MAPT 2493/4885NPSR1 1874/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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